[(5R)-3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone

C17H12ClF3N2O2 — CID 7302769

IUPAC[(5R)-3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1N=C(c2ccc(Cl)cc2)C[C@@]1(O)C(F)(F)F
InChIInChI=1S/C17H12ClF3N2O2/c18-13-8-6-11(7-9-13)14-10-16(25,17(19,20)21)23(22-14)15(24)12-4-2-1-3-5-12/h1-9,25H,10H2/t16-/m1/s1
InChIKeyJVDDPTYSLGCIIS-MRXNPFEDSA-N
MW368.74 g/mol
LogP3.84
Rot. Bonds2

About [(5R)-3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone

[(5R)-3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone (PubChem CID 7302769) has the molecular formula C17H12ClF3N2O2 and a molecular weight of 368.74 g/mol. Its IUPAC name is [(5R)-3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(5R)-3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone
PubChem CID7302769
Molecular FormulaC17H12ClF3N2O2
Molecular Weight368.74 g/mol
Exact Mass368.05
IUPAC Name[(5R)-3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1N=C(c2ccc(Cl)cc2)C[C@@]1(O)C(F)(F)F
InChIInChI=1S/C17H12ClF3N2O2/c18-13-8-6-11(7-9-13)14-10-16(25,17(19,20)21)23(22-14)15(24)12-4-2-1-3-5-12/h1-9,25H,10H2/t16-/m1/s1
InChIKeyJVDDPTYSLGCIIS-MRXNPFEDSA-N
XLogP3.84
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.74
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(5R)-3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone?
The IUPAC name of [(5R)-3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone (CID 7302769) is [(5R)-3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone.
What is the SMILES notation for [(5R)-3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone?
The canonical SMILES for [(5R)-3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone is O=C(c1ccccc1)N1N=C(c2ccc(Cl)cc2)C[C@@]1(O)C(F)(F)F.
What is the InChIKey of [(5R)-3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone?
The InChIKey is JVDDPTYSLGCIIS-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H12ClF3N2O2/c18-13-8-6-11(7-9-13)14-10-16(25,17(19,20)21)23(22-14)15(24)12-4-2-1-3-5-12/h1-9,25H,10H2/t16-/m1/s1.
What are the key properties of [(5R)-3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone?
[(5R)-3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone has a molecular weight of 368.74 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone is sourced from PubChem (CID 7302769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).